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Compound Detail

CHEMBL5422482

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COc1ccc2c(c1)C[C@H](Nc1ccnc3cc(Cl)ccc13)C2

Basic Information

ChEMBL ID CHEMBL5422482
Phase Preclinical
Structure Type MOL
InChI Key OYNGCONWJSOCSX-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.8
MW (Da)
4.48
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClN2O
MW 324.81
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium berghei
CHEMBL612653
IC50 6.23 6.23 590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium berghei IC50 = 590.0 nM 6.23 Antimalarial activity against Plasmodium berghei ANKA 37163950

Literature References

PubMed DOI Target Context # Activities
37163950 10.1016/j.ejmech.2023.115458 Plasmodium berghei 1

Data from ChEMBL 36 via Core Engine